Geometry & MOs

Info

ID:	271973
PubChem CID:	103707689
Reduced:	NSO2C14H21 (1)
Stoich.:	ABC2D14E21 (1)
Weight, g/mol:	257.152812
ΔH_f, kcal/mol:	-79.32
Dipole, Da:	5.15
IP(EA), eV:	-9.01(0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,3-dihydro-1H-inden-5-ylmethyl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine

Drug info:

PubChemData

Smile

CCS(=O)(=O)CCNCC1=CC2=C(CCC2)C=C1

DOS

IR

Vibrations